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    • 5. 发明申请
    • TECHNIQUES FOR DISPLAY AND PROCESSING OF MASS SPECTRAL DATA
    • 用于显示和处理大量光谱数据的技术
    • WO2016044079A1
    • 2016-03-24
    • PCT/US2015/049581
    • 2015-09-11
    • WATERS TECHNOLOGIES CORPORATION
    • STEVENS, Douglas, M.
    • G01R19/04H01J49/26
    • G01N30/8631G01N27/622G01N30/7233H01J49/0031H01J49/0036H01J49/40
    • Processing mass spectral data may include performing one or more experiments using one or more samples, each experiment including mass analysis using a mass spectrometer; acquiring one or more raw mass spectral data sets as a result of performing the one or more experiments; receiving selection criteria; filtering the one or more raw mass spectral data sets in accordance with the selection criteria; and generating a chromatogram as a result of said filtering, wherein the chromatogram displays signal intensity as a function of scan time for a plurality of scan times and includes a non-zero signal intensity at each scan time only if, at the scan time, the selection criteria is met and otherwise the chromatogram includes a zero signal intensity at the scan time. The mass spectrometer may alternate between low and elevated energy modes and acquire two of the raw mass spectral data sets concurrently.
    • 处理质谱数据可以包括使用一个或多个样品进行一个或多个实验,每个实验包括使用质谱仪的质量分析; 获取作为执行所述一个或多个实验的结果的一个或多个原始质谱数据集; 接受选择标准; 根据选择标准过滤一个或多个原始质谱数据集; 以及作为所述过滤的结果产生色谱图,其中所述色谱图显示作为多个扫描时间的扫描时间的函数的信号强度,并且在每个扫描时间仅包括在扫描时间内的非零信号强度 满足选择标准,否则色谱图在扫描时间内包含零信号强度。 质谱仪可以在低能量模式和高能量模式之间交替,同时获得两个原始质谱数据集。
    • 6. 发明申请
    • TECHNIQUES FOR MASS SPECTROMETRY PEAK LIST COMPUTATION USING PARALLEL PROCESSING
    • 使用并行处理的质谱分析计算技术
    • WO2011155984A1
    • 2011-12-15
    • PCT/US2011/001029
    • 2011-06-07
    • WATERS TECHNOLOGIES CORPORATIONDE CORRAL, Jose
    • DE CORRAL, Jose
    • G01R23/165
    • H01J49/0036G01N30/7233G01N30/86G01N30/8617G01N2030/8831G06F17/00
    • Described are techniques for processing data. Sample analysis is performed generating scans of data. Each scan comprises a set of data elements each associating an ion intensity count with a plurality of dimensions including a retention time dimension and a mass to charge ratio dimension. The scans are analyzed to identify one or more ion peaks. Analyzing includes filtering a first plurality of the scans producing a first plurality of filtered output scans. The filtering including first filtering producing a first filtering output, wherein the first filtering includes executing a plurality of threads in parallel which apply a first filter to the first plurality of scans to produce the first filtering output. Each of the plurality of threads computes at least one filtered output point for at least one corresponding input point included in the plurality of scans. Analyzing includes detecting one or more peaks using the filtered output scans.
    • 描述了用于处理数据的技术。 进行样本分析,生成数据扫描。 每个扫描包括一组数据元素,每个数据元素将离子强度计数与包括保留时间维度和质荷比维度的多个维度相关联。 分析扫描以识别一个或多个离子峰。 分析包括过滤产生第一多个经滤波的输出扫描的第一多个扫描。 所述过滤包括产生第一过滤输出的第一过滤,其中所述第一过滤包括并行执行多个线程,其将第一过滤器应用于所述第一多个扫描以产生所述第一过滤输出。 多个线程中的每一个针对包括在多个扫描中的至少一个对应输入点计算至少一个滤波输出点。 分析包括使用过滤的输出扫描检测一个或多个峰。